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250726-38-6

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Basic Information
CAS No.: 250726-38-6
Name: 2-Thiomethylpyrimidine-4-carboxylic acid potassium salt
Molecular Structure:
Molecular Structure of 250726-38-6 (2-Thiomethylpyrimidine-4-carboxylic acid potassium salt)
Formula: C6H5KN2O2S
Molecular Weight: 208.28
Synonyms: 4-Pyrimidinecarboxylicacid, 2-(methylthio)-, potassium salt (9CI);2-Thiomethylpyrimidine-4-carboxylic acid potassium salt;Potassium 2-(methylsulfanyl)-4-pyrimidinecarboxylate;
PSA: 91.21000
LogP: -0.43800
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Specification

The IUPAC name of 2-Thiomethylpyrimidine-4-carboxylic acid potassium salt is potassium 2-methylsulfanylpyrimidine-4-carboxylate. With the CAS registry number 250726-38-6, it is also named as 4-Pyrimidinecarboxylicacid, 2-(methylthio)-, potassium salt (1:1). In addition, its molecular formula is C6H5KN2O2S and molecular weight is 208.28.

The other characteristics of 2-Thiomethylpyrimidine-4-carboxylic acid potassium salt can be summarized as: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 4; (3)Rotatable Bond Count: 2; (4)Exact Mass: 207.97088; (5)MonoIsotopic Mass: 207.97088; (6)Topological Polar Surface Area: 91.2; (7)Heavy Atom Count: 12; (8)Complexity: 159.

People can use the following data to convert to the molecule structure.
(1)SMILES: [K+].CSc1nc(ccn1)C([O-])=O
(2)InChI: InChI=1/C6H6N2O2S.K/c1-11-6-7-3-2-4(8-6)5(9)10;/h2-3H,1H3,(H,9,10);/q;+1/p-1
(3)InChIKey: JAUBOOHBQGVERW-REWHXWOFAL
(4)Std. InChI: InChI=1S/C6H6N2O2S.K/c1-11-6-7-3-2-4(8-6)5(9)10;/h2-3H,1H3,(H,9,10);/q;+1/p-1
(5)Std. InChIKey: JAUBOOHBQGVERW-UHFFFAOYSA-M